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3482-86-8 molecular structure
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bis(1-ethylguanidine); sulfuric acid

ChemBase ID: 150264
Molecular Formular: C6H20N6O4S
Molecular Mass: 272.3258
Monoisotopic Mass: 272.12667415
SMILES and InChIs

SMILES:
CCNC(=N)N.CCNC(=N)N.OS(=O)(=O)O
Canonical SMILES:
OS(=O)(=O)O.CCNC(=N)N.CCNC(=N)N
InChI:
InChI=1S/2C3H9N3.H2O4S/c2*1-2-6-3(4)5;1-5(2,3)4/h2*2H2,1H3,(H4,4,5,6);(H2,1,2,3,4)
InChIKey:
UKQVDMIAGTYDFN-UHFFFAOYSA-N

Cite this record

CBID:150264 http://www.chembase.cn/molecule-150264.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
bis(1-ethylguanidine); sulfuric acid
IUPAC Traditional name
bis(1-ethylguanidine); sulfuric acid
Synonyms
1-Ethylguanidine sulfate
1-乙基胍 硫酸酯
CAS Number
3482-86-8
EC Number
222-467-1
MDL Number
MFCD00013130
PubChem SID
24856655
162244425
PubChem CID
2734809

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
275557 external link Add to cart Please log in.
Data Source Data ID
PubChem 2734809 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.0178745  LogD (pH = 7.4) -3.017388 
Log P -0.60242164  Molar Refractivity 35.382 cm3
Polarizability 9.264662 Å3 Polar Surface Area 61.9 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
244 °C (dec.)(lit.) expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
98% expand Show data source
Linear Formula
[C2H5NHC(=NH)NH2]2·H2SO4 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 275557 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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